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3-thiazolidinepropanoic acid, 5-[(3-methyl-2-thienyl)methylene]-4-oxo-2-thioxo-, (5E)-
SpectraBase Compound ID C7p3OunJn87
InChI InChI=1S/C12H11NO3S3/c1-7-3-5-18-8(7)6-9-11(16)13(12(17)19-9)4-2-10(14)15/h3,5-6H,2,4H2,1H3,(H,14,15)/b9-6+
InChIKey JPIDUFHGFZHZHJ-RMKNXTFCSA-N
Mol Weight 313.4 g/mol
Molecular Formula C12H11NO3S3
Exact Mass 312.990107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ignr6r8G7AB
Name 3-thiazolidinepropanoic acid, 5-[(3-methyl-2-thienyl)methylene]-4-oxo-2-thioxo-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.990106737 u
Formula C12H11NO3S3
InChI InChI=1S/C12H11NO3S3/c1-7-3-5-18-8(7)6-9-11(16)13(12(17)19-9)4-2-10(14)15/h3,5-6H,2,4H2,1H3,(H,14,15)/b9-6+
InChIKey JPIDUFHGFZHZHJ-RMKNXTFCSA-N
Molecular Weight 313.404 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8671
Solvent DMSO-d6
Source Vendor ID: NMR/10211198; Lab Info: LD; Lab Number: LD-FE00151